Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1576043
Preview
| Coordinates | 1576043.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H30 N2 O3 |
|---|---|
| Calculated formula | C38 H30 N2 O3 |
| Title of publication | Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes via migratory insertion |
| Authors of publication | Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 20.9949 ± 0.0014 Å |
| b | 10.6889 ± 0.0007 Å |
| c | 26.4893 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5944.5 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0437 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302953 (current) | 2025-10-18 | cif/ Adding structures of 1576040, 1576041, 1576042, 1576043, 1576044 via cif-deposit CGI script. |
1576043.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.